四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物
TL;DR: 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物 (CAS 62777-11-1) is a chemical compound with molecular formula C5H6O4S and molecular weight 162.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物
5-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-2-one
Also Known As: Tetrahydrothieno(3,4-d)(1,3)dioxol-2-one 5-oxide, 5-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-2-one, Tetrahydrothieno[3,4-d][1,3]dioxol-2-one 5-oxide, Tetrahydro-2H,5H-5lambda~4~-thieno[3,4-d][1,3]dioxole-2,5-dione, Thieno[3,4-d]-1,3-dioxol-2-one,tetrahydro-, 5-oxide, (3aa,5b,6aa)- (9CI)
| Molecular Formula | C5H6O4S |
|---|---|
| Molecular Weight | 162.00 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.99867 |
| Heavy Atoms | 10 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 62777-11-1 |
|---|---|
| SMILES | C1C2C(CS1=O)OC(=O)O2 |
| InChIKey | DXRFKRUHRSOBFI-UHFFFAOYSA-N |
Product Overview
四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物 (CAS 62777-11-1), with molecular formula C5H6O4S and molecular weight 162.00 g/mol. IUPAC: 5-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-2-one.
Chemical Property Profile of 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物
Property Insights of 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物
The XLogP value of -0.8 indicates that 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物. Following Lipinski's Rule of Five, 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物?
The CAS number of 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物 is 62777-11-1.
What is the molecular formula of 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物?
The molecular formula of 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物 is C5H6O4S.
What is the molecular weight of 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物?
The molecular weight of 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物 is 162.00 g/mol.
Where can I buy 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物?
You can request a quote for 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 四氢噻吩并(3,4-d)(1,3)二氧杂环戊烯-2-酮5-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.